[Pw_forum] error in the NSCF calculation with a large number of kpoints.

[Paolo Giannozzi]

In newer QE versions by default all KS orbitals are kept
in memory. Very convenient but you may run out of memory.
See option disk_io

P.
On Mon, 2014-04-21 at 12:08 +0800, Dingfu Shao wrote:
> Dear QE users,
> 
> I want to plot a fermi surface with a very dense kpoints, so that I
> can do some calculation such as the Fermi surface nesting function. A
> smaller kpoints number, such as 1200, works fine. But when I take the
> nscf calculation with a large kpoints number, such as 2000, the error
> happens as forllowing:
> 
> [proxy:0:0 at node6] HYD_pmcd_pmip_control_cmd_cb
> (./pm/pmiserv/pmip_cb.c:939): process reading stdin too slowly; can't
> keep up
> [proxy:0:0 at node6] HYDT_dmxu_poll_wait_for_event
> (./tools/demux/demux_poll.c:77): callback returned error status
> [proxy:0:0 at node6] main (./pm/pmiserv/pmip.c:206): demux engine error
> waiting for event
> [mpiexec at node0] control_cb (./pm/pmiserv/pmiserv_cb.c:202): assert
> (!closed) failed
> [mpiexec at node0] HYDT_dmxu_poll_wait_for_event
> (./tools/demux/demux_poll.c:77): callback returned error status
> [mpiexec at node0] HYD_pmci_wait_for_completion
> (./pm/pmiserv/pmiserv_pmci.c:197): error waiting for event
> [mpiexec at node0] main (./ui/mpich/mpiexec.c:331): process manager error
> waiting for completion
> 
> 
> 
> Does anybody know what is the porblem?
> 
> 
> Best regards,
> 
> Yours Dingfu Shao
> 
> 
> -- 
> 
> 
> Dingfu Shao, Ph.D 
> 
> Institute of Solid State Physics
> 
> Chinese Academy of Sciences
> 
> P. O. Box 1129
> 
> Hefei 230031
> 
> Anhui Province
> 
> P. R. China
> 
> Email: dingfu.shao at gmail.com
> 
> 
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> 
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-- 
Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222